【摘要】 用Recursion方法计算了体心、面心、金刚石结构晶体的声子谱。计算结果表明了这种方法计算复杂晶格结构谱密度的有效性。 这一工作也为用Recursion方法处理复杂结构无序体系问题提供了准备。更多还原

【Abstract】 The phonon spectra of crystalline solids with bcc, fcc and diamond structures were calculated using the recursion method. The result of the calculation demonstrated the feasibility of this method in treating complicated systems. This work also provided a base for applying the method to study the dynamics and electronic structure of amorphous systems.更多还原